N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C20H13ClN2O4S2 — CID 10095019

IUPACN-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccon2)s1
InChIInChI=1S/C20H13ClN2O4S2/c21-14-6-7-16(15(12-14)20(24)13-4-2-1-3-5-13)23-29(25,26)19-9-8-18(28-19)17-10-11-27-22-17/h1-12,23H
InChIKeyVHFLKMYYXILNQO-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.09
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 10095019) has the molecular formula C20H13ClN2O4S2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID10095019
Molecular FormulaC20H13ClN2O4S2
Molecular Weight444.92 g/mol
Exact Mass444.00
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccon2)s1
InChIInChI=1S/C20H13ClN2O4S2/c21-14-6-7-16(15(12-14)20(24)13-4-2-1-3-5-13)23-29(25,26)19-9-8-18(28-19)17-10-11-27-22-17/h1-12,23H
InChIKeyVHFLKMYYXILNQO-UHFFFAOYSA-N
XLogP5.09
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide
CID 58979539
N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
CID 87059878
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
N-(2-benzoyl-4-chlorophenyl)-3a,7a-dihydro-1-benzothiophene-3-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide;N-(2-benzoylphenyl)-4-methylbenzenesulfonamide;N-(2-benzoylphenyl)-4-nitrobenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 158785099
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
2-[[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]sulfonylamino]benzoic acid
CID 166332946

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 10095019) is N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccon2)s1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is VHFLKMYYXILNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4S2/c21-14-6-7-16(15(12-14)20(24)13-4-2-1-3-5-13)23-29(25,26)19-9-8-18(28-19)17-10-11-27-22-17/h1-12,23H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 444.92 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 10095019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).